SCHEMBL4019512

SCHEMBL4019512

CC(C)N1CCC(Oc2cc3oc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c(-c4ccc(F)cc4)c3cc2Cl)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.36
RECQL P46063 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
TSHR P16473 1/20 0.36
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4019517 1.00 HRH3 (0.36) HRH3RECQLUTS2RTSHRHRH1
SCHEMBL4017336 0.88 RECQL (0.36) HRH3RECQLUTS2RTSHRHRH1
SCHEMBL4017332 0.88 RECQL (0.36) HRH3RECQLUTS2RTSHRHRH1
SCHEMBL3646727 0.88 HRH3 (0.45) HRH3UTS2RHRH1CCR3
SCHEMBL4017237 0.88 HRH3 (0.44) HRH3UTS2RHRH1CCR3
SCHEMBL3647308 0.88 UTS2R (0.41) HRH3UTS2RHRH1CCR3
SCHEMBL4015462 0.86 HRH3 (0.43) HRH3KMT2A
SCHEMBL4015459 0.86 HRH3 (0.43) HRH3KMT2A
SCHEMBL4014044 0.85 RECQL (0.39) HRH3RECQLTSHRKMT2AMEN1
SCHEMBL4015150 0.85 RECQL (0.48) HRH3RECQLTSHRNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534788-B2 Benzofuran and benzothiophene-2-carboxylic acid amide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-05-19 US disclosed
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090029976-A1 BENZOFURAN AND BENZOTHIOPHENE-2-CARBOXYLIC ACID AMIDE DERIVATIVES HCAR2, HCAR1, HRH3 HRH3 3/4885RECQL 1737/4885UTS2R 234/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.